ethyl 1-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]isonipecotic acid ethyl ester Formula: C18H25N3O8S MolecularWeight: 443.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O8S/c1-4-29-18(23)13-7-9-19(10-8-13)17(22)12-20(30(3,26)27)15-11-14(21(24)25)5-6-16(15)28-2/h5-6,11,13H,4,7-10,12H2,1-3H3